N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride

C10H23ClN4O2 — CID 120508848

IUPACN-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H22N4O2.ClH/c1-3-4-5-8(14-10(12)16)9(15)13-7(2)6-11;/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16);1H/t7-,8?;/m0./s1
InChIKeyHSCOWAQEWATSDA-JPPWUZRISA-N
MW266.77 g/mol
LogP0.10
Rot. Bonds7

About N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride (PubChem CID 120508848) has the molecular formula C10H23ClN4O2 and a molecular weight of 266.77 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
PubChem CID120508848
Molecular FormulaC10H23ClN4O2
Molecular Weight266.77 g/mol
Exact Mass266.15
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride
SMILESCCCCC(NC(N)=O)C(=O)N[C@@H](C)CN.Cl
InChIInChI=1S/C10H22N4O2.ClH/c1-3-4-5-8(14-10(12)16)9(15)13-7(2)6-11;/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16);1H/t7-,8?;/m0./s1
InChIKeyHSCOWAQEWATSDA-JPPWUZRISA-N
XLogP0.10
TPSA110.24 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 50.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-(carbamoylamino)hexanoylamino]propanoic acid
CID 119942919
N-[(2S)-1-aminopropan-2-yl]-2-ethylhexanamide
CID 120504739
N-[1-(aminomethyl)cyclopentyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119565556
(2R)-2-(carbamoylamino)-N-cyclopentylhexanamide
CID 94202974
N-[(2S)-1-aminopropan-2-yl]-3-ethylheptanamide;hydrochloride
CID 120506388
N-(4-aminocyclohexyl)-2-(carbamoylamino)hexanamide
CID 119475285
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-2-(carbamoylamino)hexanamide;hydrochloride
CID 119525720
5-amino-N-butan-2-yl-2-methylpentanamide
CID 112515136
N-[(2S)-1-aminopropan-2-yl]-2-methylpropanamide
CID 130636581
2-methylhexanamide
CID 2828737
2-(carbamoylamino)-N-[2-(cycloheptylamino)ethyl]hexanamide;hydrochloride
CID 119619625
N-(3-amino-2,2-dimethylpropyl)-2-(carbamoylamino)-N-methylhexanamide;hydrochloride
CID 119653315

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride (CID 120508848) is N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride is CCCCC(NC(N)=O)C(=O)N[C@@H](C)CN.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride?
The InChIKey is HSCOWAQEWATSDA-JPPWUZRISA-N. The full InChI is InChI=1S/C10H22N4O2.ClH/c1-3-4-5-8(14-10(12)16)9(15)13-7(2)6-11;/h7-8H,3-6,11H2,1-2H3,(H,13,15)(H3,12,14,16);1H/t7-,8?;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride has a molecular weight of 266.77 g/mol, XLogP of 0.10, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-2-(carbamoylamino)hexanamide;hydrochloride is sourced from PubChem (CID 120508848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).